7UYO

Crystal structure of B-form alien DNA 5'-CTTSSPBZPSZBBAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 2
Unit cell lengths	55.305, 145.928, 46.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.652 - 1.650
R-factor	0.2281
Rwork	0.227
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mik
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	145.930	145.930	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.051	0.040	0.851
Rmeas	0.055	0.043	0.922
Rpim	0.022	0.018	0.352
Total number of observations	301349	1858	15373
Number of reflections	46528	341	2302
<I/σ(I)>	17	35	2.2
Completeness [%]	99.8	97.6	99.9
Redundancy	6.5	5.4	6.7
CC(1/2)	0.999	0.998	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.05 M ADA, pH 6.5, 9% PEG4000